3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide

C20H20N4O3S — CID 52937558

IUPAC3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-2-12-28(26,27)16-10-8-14(9-11-16)17-13-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,21,22)(H,23,25)
InChIKeySEUNUSUVMZLRON-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.16
Rot. Bonds6

About 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide

3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 52937558) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID52937558
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-2-12-28(26,27)16-10-8-14(9-11-16)17-13-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,21,22)(H,23,25)
InChIKeySEUNUSUVMZLRON-UHFFFAOYSA-N
XLogP3.16
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
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3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-[2-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118014
3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide (CID 52937558) is 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide is CCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is SEUNUSUVMZLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-12-28(26,27)16-10-8-14(9-11-16)17-13-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,21,22)(H,23,25).
What are the key properties of 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide?
3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-(4-propylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 52937558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).